PubChemLite - Serratiopeptidase (C23H20N4O4)

Structural Information

Molecular Formula

SMILES

C1/C=C\COC2=C(C=NC=C2)C(N3CN1C(=O)C4=C(C(=O)C=CN43)O)C5=CC=CC=C5

InChI

InChI=1S/C23H20N4O4/c28-18-9-12-26-21(22(18)29)23(30)25-11-4-5-13-31-19-8-10-24-14-17(19)20(27(26)15-25)16-6-2-1-3-7-16/h1-10,12,14,20,29H,11,13,15H2/b5-4-

InChIKey

JLXNQWAXVYKJEB-PLNGDYQASA-N

Compound name

(11Z)-17-hydroxy-2-phenyl-9-oxa-1,5,14,21-tetrazatetracyclo[12.7.1.03,8.016,21]docosa-3(8),4,6,11,16,19-hexaene-15,18-dione

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	417.15575	198.5
[M+Na]+	439.13769	206.7
[M-H]-	415.14119	198.1
[M+NH4]+	434.18229	201.3
[M+K]+	455.11163	201.6
[M+H-H2O]+	399.14573	188.7
[M+HCOO]-	461.14667	205.8
[M+CH3COO]-	475.16232	204.3
[M+Na-2H]-	437.12314	203.2
[M]+	416.14792	195.2
[M]-	416.14902	195.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

417.15575

198.5

[M+Na]+

439.13769

206.7

[M-H]-

415.14119

198.1

[M+NH4]+

434.18229

201.3

[M+K]+

455.11163

201.6

[M+H-H2O]+

399.14573

188.7

[M+HCOO]-

461.14667

205.8

[M+CH3COO]-

475.16232

204.3

[M+Na-2H]-

437.12314

203.2

[M]+

416.14792

195.2

[M]-

416.14902

195.2

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Serratiopeptidase

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe